8-(butylamino)-3-methyl-7-[(2R)-3-(3-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 8-(butylamino)-3-methyl-7-[(2R)-3-(3-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-(butylamino)-7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(butylamino)-7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(butylamino)-7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-(butylamino)-7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-xanthine Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(N1CC(COC3=CC=CC(=C3)C)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCNC1=NC2=C(N1C[C@H](COC3=CC=CC(=C3)C)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H27N5O4/c1-4-5-9-21-19-22-17-16(18(27)23-20(28)24(17)3)25(19)11-14(26)12-29-15-8-6-7-13(2)10-15/h6-8,10,14,26H,4-5,9,11-12H2,1-3H3,(H,21,22)(H,23,27,28)/t14-/m1/s1